2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate

C9H19NO4 — CID 90859633

IUPAC2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OCC(O)CO)C(C)(C)C
InChIInChI=1S/C9H19NO4/c1-9(2,3)10(4)8(13)14-6-7(12)5-11/h7,11-12H,5-6H2,1-4H3
InChIKeyBRLQBUAQFFIYHC-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.21
Rot. Bonds3

About 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate

2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate (PubChem CID 90859633) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate.

Molecular Properties

Compound Name2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate
PubChem CID90859633
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OCC(O)CO)C(C)(C)C
InChIInChI=1S/C9H19NO4/c1-9(2,3)10(4)8(13)14-6-7(12)5-11/h7,11-12H,5-6H2,1-4H3
InChIKeyBRLQBUAQFFIYHC-UHFFFAOYSA-N
XLogP0.21
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxypropyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 89277023
copper;2,3-dihydroxypropyl acetate
CID 175414462
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 162488757
2,3-dihydroxypropyl 4,4-dimethylpentanoate
CID 87838530
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
2,3-dihydroxypropyl 2,3,4,5,6-pentahydroxy-2-methylhexanoate
CID 175213467
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
[(2S)-2,3-dihydroxypropyl] 4-(dimethylamino)butanoate
CID 164815624
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
potassium 2,3-dihydroxypropyl carbonate
CID 174435109
sodium 2,3-dihydroxypropyl carbonate
CID 174410448

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate?
The IUPAC name of 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate (CID 90859633) is 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate.
What is the SMILES notation for 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate?
The canonical SMILES for 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate is CN(C(=O)OCC(O)CO)C(C)(C)C.
What is the InChIKey of 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate?
The InChIKey is BRLQBUAQFFIYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,3)10(4)8(13)14-6-7(12)5-11/h7,11-12H,5-6H2,1-4H3.
What are the key properties of 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate?
2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate has a molecular weight of 205.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl N-tert-butyl-N-methylcarbamate is sourced from PubChem (CID 90859633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).